1.0 2010-04-08 22:11:34 UTC 2019-11-26 03:11:02 UTC FDB014960 (+)-3-Thujone Thujone is a ketone and a monoterpene that occurs naturally in two diastereomeric forms: (-)-alpha-thujone and (+)-beta-thujone. It has a menthol odor. In addition to (-)-alpha-thujone and (+)-beta-thujone, there are their enantiomeric forms, (+)-alpha-thujone and (-)-beta-thujone. (+)-3-Thujone is found in many foods, some of which are peppermint, common sage, winter savory, and ginger. -Thujone (+)-&beta;-Thujone (+)-3-Thujone (+)-b-Thujone (+)-beta-Thujone (+)-cis-Thujone (+)-Isothujone (+)-Thujone (1S,4S,5R)-(+)-3-Thujanone (1S,4S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one [1S-(1a,4b,5a)]-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one [1S-(1alpha,4beta,5alpha)]-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one [1S-(1α,4β,5α)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one &beta;-Thujone 3-Thujanone, (1S,4S,5R)-(+)- b-Thujone beta-Thujone D-&beta;-Thujone D-b-Thujone D-beta D-beta-Thujone D-Isothujone D-β-thujone Isothujone Thujone, (+)- trans-Thujone β-thujone C10H16O 152.2334 152.120115134 (1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one (+)-β-thujone 471-15-8 CC(C)[C@@]12C[C@@H]1[C@H](C)C(=O)C2 InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1 USMNOWBWPHYOEA-XKSSXDPKSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Bicyclic monoterpenoid Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Thujane monoterpenoid Bicyclic monoterpenoids beta-thujone logp 1.74 ALOGPS logs -2.54 ALOGPS solubility 4.38e-01 g/l ALOGPS logp 2.28 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one ChemAxon average_mass 152.2334 ChemAxon mono_mass 152.120115134 ChemAxon smiles CC(C)[C@@]12C[C@@H]1[C@H](C)C(=O)C2 ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1 ChemAxon inchikey USMNOWBWPHYOEA-XKSSXDPKSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.54 ChemAxon polarizability 18.02 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7101 Specdb::MsIr 7102 Specdb::CMs 26581 Specdb::CMs 160906 Specdb::MsMs 68784 Specdb::MsMs 68785 Specdb::MsMs 68786 Specdb::MsMs 126897 Specdb::MsMs 126898 Specdb::MsMs 126899 Specdb::MsMs 2370221 Specdb::MsMs 2370222 Specdb::MsMs 2370223 Specdb::MsMs 2568010 Specdb::MsMs 2568011 Specdb::MsMs 2568012 HMDB36113 #<Reference:0x000055ce3234a098> #<Reference:0x000055ce32349ee0> #<Reference:0x000055ce32349d28> #<Reference:0x000055ce32349b70> #<Reference:0x000055ce323499b8> #<Reference:0x000055ce32349800> #<Reference:0x000055ce32349648> #<Reference:0x000055ce32349490> #<Reference:0x000055ce323492d8> #<Reference:0x000055ce32349120> #<Reference:0x000055ce32348f68> #<Reference:0x000055ce32348db0> Common sage Type 1 specific Salvia officinalis 38868 508.4 508.4 508.4 mg/100 g Ginger Type 1 specific Zingiber officinale 94328 Hyssop Type 1 specific Hyssopus officinalis 39324 2.005 2.005 2.005 mg/100 g Peppermint Type 1 specific Mentha X piperita 34256 Pot marjoram Type 1 specific Origanum onites 452416 0.0 0.0 0.0 mg/100 g Rosemary Type 1 specific Rosmarinus officinalis 39367 11.0 11.0 11.0 mg/100 g Sweet basil Type 1 specific Ocimum basilicum 39350 Winter savory Type 1 specific Satureja montana 49988 3.35 3.35 3.35 mg/100 g Abortifacient 13 A chemical substance that interrupts pregnancy after implantation. Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti feedant 275 Emmenagogue 900 Insectifuge 1041 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.